SCHEMBL19985848

SCHEMBL19985848

CCOC(=O)/C(C#N)=C/c1c(F)cc(CO)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
PTP4A1 Q93096 1/20 0.51
MIF P14174 1/20 0.51
ALDH1A1 P00352 10/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
STAT1 P42224 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CRHBP P24387 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19994122 0.84 ALDH1A1 (0.55) MAPTPTP4A1MIFALDH1A1PDCD1
SCHEMBL28296981 0.84 ALDH1A1 (0.55) MAPTPTP4A1MIFALDH1A1PDCD1
SCHEMBL19994120 0.84 ALDH1A1 (0.55) MAPTPTP4A1MIFALDH1A1PDCD1
SCHEMBL12677356 0.77 ALDH1A1 (0.69) MAPTPTP4A1MIFALDH1A1PDCD1
SCHEMBL17351447 0.75 MAPT (0.76) MAPTPTP4A1MIFALDH1A1PDCD1
SCHEMBL17351448 0.75 MAPT (0.76) MAPTPTP4A1MIFALDH1A1PDCD1
SCHEMBL12677357 0.73 MAPT (0.61) MAPTMIFALDH1A1PDCD1CD274
SCHEMBL12670733 0.73 MAPT (0.61) MAPTMIFALDH1A1PDCD1CD274
SCHEMBL17351445 0.73 MAPT (0.61) MAPTMIFALDH1A1PDCD1CD274
SCHEMBL13559199 0.73 MIF (0.76) MAPTPTP4A1MIFALDH1A1PDCD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 MAPT 4276/4885PTP4A1 4498/4885MIF 212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.